%chk=000235470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235470

0 1
O -2.879730 2.388365 -0.011716
N -0.076318 -1.592204 0.007451
N -2.465211 -1.648488 -0.149109
N -3.829115 0.337385 -0.269717
N -4.807783 -1.806414 -0.660640
C -0.133649 1.396050 0.110011
C 1.151327 0.571098 0.027314
C -1.370676 0.517226 -0.011722
C 1.154461 -0.833390 -0.021132
C -1.290429 -0.846799 -0.027731
C -0.132008 2.412505 -1.048970
C -0.176936 2.120293 1.468400
C 2.388680 1.231301 -0.016928
C 2.360105 -1.546504 -0.164579
C 3.598407 0.540009 -0.130547
C -2.681022 1.197422 -0.100299
C 3.581491 -0.870843 -0.219309
C -0.068026 -2.807477 0.875913
C -3.707616 -0.964463 -0.342469
C 4.887303 1.296440 -0.166290
C 4.850671 -1.645744 -0.372058
H -1.027770 3.053146 -1.011435
H -0.129371 1.908209 -2.020161
H 0.733584 3.078747 -1.011706
H -1.087295 2.735315 1.544613
H 0.677127 2.789030 1.602989
H -0.185510 1.411683 2.300994
H 2.403049 2.322339 0.037064
H 2.343696 -2.630736 -0.255398
H -2.371208 -2.630363 -0.411865
H 0.847253 -2.863327 1.492670
H -0.096586 -3.702390 0.230801
H -0.915623 -2.839215 1.579159
H 4.743345 2.380365 -0.067949
H 5.556006 0.985896 0.648788
H 5.421023 1.128289 -1.112690
H 5.389371 -1.347182 -1.283509
H 5.527201 -1.472908 0.477263
H 4.683570 -2.728073 -0.438449
H -4.941750 -2.608457 -0.055197
H -5.683036 -1.290837 -0.786556


%chk=000235470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235470

0 1
O -2.937148 2.450372 -0.022964
N -0.109041 -1.526807 0.134586
N -2.470938 -1.601261 -0.118471
N -3.890740 0.330151 -0.141466
N -4.817372 -1.819013 -0.324711
C -0.148642 1.460840 0.080748
C 1.137208 0.604344 0.014092
C -1.402042 0.572301 -0.017649
C 1.128418 -0.817526 0.026636
C -1.306772 -0.812490 0.002883
C -0.148155 2.470340 -1.114454
C -0.179398 2.253701 1.428019
C 2.399734 1.237869 -0.050742
C 2.348541 -1.537279 -0.064791
C 3.628189 0.541079 -0.111870
C -2.750839 1.192239 -0.075706
C 3.597804 -0.883230 -0.129575
C -0.099376 -2.942711 0.538373
C -3.723500 -0.975128 -0.184754
C 4.942246 1.299428 -0.166145
C 4.878875 -1.693069 -0.220280
H -1.076017 3.062459 -1.094937
H -0.079340 1.933407 -2.077632
H 0.710009 3.162702 -1.044276
H -1.092007 2.870949 1.468756
H 0.702034 2.916327 1.508433
H -0.170571 1.563488 2.291142
H 2.431745 2.333272 -0.047057
H 2.338677 -2.630940 -0.110556
H -2.381485 -2.576996 -0.403609
H 0.732834 -3.114530 1.241640
H 0.026496 -3.637226 -0.317447
H -1.028481 -3.193709 1.077184
H 4.774274 2.389315 -0.137628
H 5.602361 1.038580 0.684019
H 5.510269 1.071675 -1.089331
H 5.448317 -1.453412 -1.139017
H 5.552846 -1.482979 0.632642
H 4.671580 -2.776930 -0.226261
H -4.790256 -2.801060 -0.060520
H -5.719335 -1.353244 -0.402005


